V4C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	S	doub	1.42Å	1.40Å
O	S	doub	1.42Å	1.40Å
C1	C	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.52Å
C1	C3	sing	1.53Å	1.54Å
S	N	sing	1.66Å	1.66Å
S	C7	sing	1.76Å	1.60Å
C5	C4	sing	1.53Å	1.52Å
C5	C6	sing	1.53Å	1.50Å
C3	N	sing	1.46Å	1.47Å
N	C4	sing	1.47Å	1.45Å
C7	C8	sing	1.40Å	1.44Å	Aromatic
C7	C9	doub	1.35Å	1.40Å	Aromatic
C4	C6	sing	1.53Å	1.51Å
C8	N1	doub	1.31Å	1.34Å	Aromatic
C9	N2	sing	1.35Å	1.36Å	Aromatic
N1	N2	sing	1.40Å	1.38Å	Aromatic
N2	C10	sing	1.47Å	1.46Å
C8	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C10	H18	sing	1.09Å	1.10Å
C10	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S	O	118.9°	123.2°
O1	S	N	107.1°	106.4°
O1	S	C7	109.4°	106.5°
O	S	N	110.7°	106.4°
O	S	C7	109.6°	106.4°
C	C1	C2	108.5°	109.5°
C	C1	C3	109.5°	109.5°
C	C1	H3	110.4°	109.5°
C1	C	H14	109.5°	109.4°
C1	C	H15	109.5°	109.4°
C1	C	H16	109.4°	109.5°
C2	C1	C3	107.7°	109.5°
C2	C1	H3	110.4°	109.5°
C1	C2	H11	109.5°	109.5°
C1	C2	H12	109.5°	109.5°
C1	C2	H13	109.4°	109.5°
C1	C3	N	116.3°	109.4°
C3	C1	H3	110.2°	109.5°
C1	C3	H9	107.8°	109.4°
C1	C3	H10	107.7°	109.5°
N	S	C7	99.5°	107.2°
S	N	C3	119.8°	120.0°
S	N	C4	122.1°	120.0°
S	C7	C8	126.3°	126.1°
S	C7	C9	128.7°	126.0°
C4	C5	C6	60.0°	60.0°
C5	C4	N	122.5°	117.5°
C5	C4	C6	59.4°	60.0°
C4	C5	H4	120.0°	117.5°
C4	C5	H5	120.0°	117.5°
C5	C4	H8	113.3°	117.5°
C5	C6	C4	60.5°	60.0°
C6	C5	H4	120.0°	117.5°
C6	C5	H5	120.0°	117.5°
C5	C6	H6	119.9°	117.5°
C5	C6	H7	119.9°	117.5°
C3	N	C4	116.5°	120.0°
N	C3	H9	107.7°	109.5°
N	C3	H10	107.8°	109.5°
N	C4	C6	122.8°	117.5°
N	C4	H8	114.5°	115.6°
C8	C7	C9	104.9°	107.9°
C7	C8	N1	110.8°	108.2°
C7	C8	H1	124.6°	125.9°
C7	C9	N2	106.9°	107.7°
C7	C9	H2	126.6°	126.2°
C4	C6	H6	119.9°	117.5°
C4	C6	H7	119.9°	117.6°
C6	C4	H8	113.4°	117.5°
C8	N1	N2	105.3°	108.2°
N1	C8	H1	124.6°	125.9°
C9	N2	N1	112.1°	108.0°
C9	N2	C10	126.7°	126.0°
N2	C9	H2	126.6°	126.1°
N1	N2	C10	121.2°	126.0°
N2	C10	H17	109.5°	109.5°
N2	C10	H18	109.5°	109.4°
N2	C10	H19	109.5°	109.5°
H4	C5	H5	109.5°	115.6°
H6	C6	H7	109.5°	115.5°
H9	C3	H10	109.5°	109.5°
H11	C2	H12	109.5°	109.5°
H11	C2	H13	109.5°	109.4°
H12	C2	H13	109.5°	109.5°
H14	C	H15	109.4°	109.5°
H14	C	H16	109.5°	109.5°
H15	C	H16	109.5°	109.5°
H17	C10	H18	109.5°	109.5°
H17	C10	H19	109.5°	109.5°
H18	C10	H19	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S	O	N	124.5°	122.9°
O1	S	O	C7	126.7°	123.0°
O1	S	N	C7	113.8°	113.6°
O1	S	N	C3	16.3°	17.0°
O1	S	N	C4	148.5°	163.1°
O1	S	C7	C8	34.9°	156.4°
O1	S	C7	C9	148.0°	23.5°
O	S	N	C7	115.3°	113.5°
O	S	N	C3	147.3°	149.9°
O	S	N	C4	17.5°	30.2°
O	S	C7	C8	166.8°	23.4°
O	S	C7	C9	16.1°	156.5°
C	C1	C2	C3	118.5°	120.0°
C	C1	C2	H3	121.1°	120.0°
C	C1	C3	H3	121.7°	120.0°
C	C1	C3	N	175.2°	177.1°
C	C1	C3	H9	54.2°	57.1°
C	C1	C3	H10	63.9°	62.9°
C	C1	C2	H11	180.0°	53.3°
C	C1	C2	H12	60.0°	173.3°
C	C1	C2	H13	60.0°	66.7°
C1	C	H14	H15	120.0°	120.0°
C1	C	H14	H16	120.0°	120.0°
C1	C	H15	H16	120.0°	120.0°
C2	C1	C3	H3	120.5°	120.0°
C2	C1	C3	N	57.4°	62.9°
C2	C1	C3	H9	63.6°	177.1°
C2	C1	C3	H10	178.4°	57.1°
C1	C2	H11	H12	120.0°	120.0°
C1	C2	H11	H13	120.0°	120.0°
C1	C2	H12	H13	120.0°	120.0°
C2	C1	C	H14	180.0°	60.0°
C2	C1	C	H15	60.0°	180.0°
C2	C1	C	H16	60.0°	60.0°
C1	C3	N	S	96.0°	66.4°
C1	C3	N	H9	121.0°	119.9°
C1	C3	N	H10	121.0°	120.0°
C1	C3	N	C4	69.6°	113.7°
C1	C3	H9	H10	116.9°	120.0°
C3	C1	C2	H11	61.5°	173.3°
C3	C1	C2	H12	178.4°	66.7°
C3	C1	C2	H13	58.5°	53.3°
C3	C1	C	H14	62.7°	60.0°
C3	C1	C	H15	57.2°	60.0°
C3	C1	C	H16	177.3°	180.0°
S	N	C4	C5	24.1°	116.1°
S	N	C3	C4	165.6°	179.9°
N	S	C7	C8	77.1°	90.1°
N	S	C7	C9	100.0°	90.0°
S	N	C4	C6	48.1°	175.3°
S	N	C4	H8	167.6°	29.6°
S	N	C3	H9	143.0°	53.5°
S	N	C3	H10	24.9°	173.6°
C7	S	N	C3	97.5°	96.6°
C7	S	N	C4	97.8°	83.3°
S	C7	C8	C9	177.7°	179.9°
S	C7	C8	N1	177.3°	180.0°
S	C7	C9	N2	177.2°	179.9°
S	C7	C8	H1	2.7°	0.1°
S	C7	C9	H2	2.8°	0.0°
C4	C5	C6	H4	109.5°	107.5°
C4	C5	C6	H5	109.5°	107.5°
C5	C4	N	C3	141.2°	64.0°
C5	C4	N	C6	72.1°	68.6°
C5	C4	N	H8	143.5°	145.6°
C5	C4	C6	H8	104.1°	107.4°
C4	C5	H4	H5	144.7°	145.7°
C4	C5	C6	H6	109.6°	107.5°
C4	C5	C6	H7	109.6°	107.6°
C6	C5	H4	H5	144.7°	145.7°
C5	C6	H6	H7	144.5°	145.6°
C3	N	C4	C6	146.7°	4.6°
N	C3	C1	H3	63.1°	57.1°
C3	N	C4	H8	2.4°	150.4°
N	C3	H9	H10	116.9°	120.1°
N	C4	C6	H8	144.7°	145.1°
N	C4	C5	H4	2.2°	145.0°
N	C4	C5	H5	138.8°	0.1°
N	C4	C6	H6	1.5°	0.1°
N	C4	C6	H7	139.2°	145.0°
C4	N	C3	H9	51.4°	126.4°
C4	N	C3	H10	169.4°	6.3°
C7	C8	N1	H1	180.0°	180.0°
C8	C7	C9	N2	0.4°	0.0°
C7	C8	N1	N2	0.2°	0.0°
C8	C7	C9	H2	179.6°	179.9°
C9	C7	C8	N1	0.4°	0.0°
C7	C9	N2	H2	180.0°	179.9°
C7	C9	N2	N1	0.4°	0.0°
C7	C9	N2	C10	179.1°	180.0°
C9	C7	C8	H1	179.6°	180.0°
C4	C6	H6	H7	144.4°	145.7°
C8	N1	N2	C9	0.1°	0.0°
C8	N1	N2	C10	179.4°	180.0°
C9	N2	N1	C10	179.5°	180.0°
C9	N2	C10	H17	179.4°	90.0°
C9	N2	C10	H18	60.6°	30.0°
C9	N2	C10	H19	59.4°	149.9°
N2	N1	C8	H1	179.8°	180.0°
N1	N2	C9	H2	179.7°	179.9°
N1	N2	C10	H17	0.0°	90.0°
N1	N2	C10	H18	120.0°	150.0°
N1	N2	C10	H19	120.0°	30.1°
C10	N2	C9	H2	0.9°	0.1°
N2	C10	H17	H18	120.0°	120.0°
N2	C10	H17	H19	120.0°	120.0°
N2	C10	H18	H19	120.0°	120.0°
H3	C1	C3	H9	175.9°	62.9°
H3	C1	C3	H10	57.9°	177.1°
H3	C1	C2	H11	58.9°	66.7°
H3	C1	C2	H12	61.2°	53.3°
H3	C1	C2	H13	178.8°	173.3°
H3	C1	C	H14	58.9°	180.0°
H3	C1	C	H15	178.8°	60.0°
H3	C1	C	H16	61.1°	60.0°
H4	C5	C6	H6	0.1°	145.0°
H4	C5	C6	H7	140.9°	0.1°
H4	C5	C4	H8	146.2°	0.0°
H5	C5	C6	H6	140.9°	0.0°
H5	C5	C6	H7	0.1°	144.9°
H5	C5	C4	H8	5.1°	145.0°
H6	C6	C4	H8	146.2°	145.1°
H7	C6	C4	H8	5.4°	0.1°
H11	C2	H12	H13	120.0°	120.0°
H14	C	H15	H16	120.0°	120.0°
H17	C10	H18	H19	120.0°	120.1°

Release date:	2022-11-02
Definition date:	2022-08-29
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	7FK7